Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C1(=CC=CC=C1)CC(=O)Cl.CC(C)(C1=CC(=CC(=C1)Cl)Cl)NC(C(C)=O)C>O.ClCCl.c1ccncc1.C(C)(C)N(C(C)C)CC>CC(C)(C1=CC(=CC(=C1)Cl)Cl)N(C(CC1=CC=CC=C1)=O)C(C(C)=O)C
3
C1C(S1)CCl>>N1=C[CH2+]=CC=C1.[Cl-].S1CCC1
5
C(C)=O.NC1=CC(=C(C(=O)NCC2CN(CCO2)CC2CCNCC2)C=C1Cl)OCC>CO[H].[Na+].[BH4-].CCN(CC)CC>NC1=CC(=C(C(=O)NCC2CN(CCO2)CC2CCN(CC2)CC)C=C1Cl)OCC
3
CN1CCN(CC1)C1=NC=CC(=C1)[N+](=O)[O-]>CO[H].[HH].[Pd]>CN1CCN(CC1)C1=NC=CC(=C1)N
3
C(C)C1=C(C#N)C=CC(=C1)[N+](=O)[O-]>>NC1=CC(=C(C#N)C=C1)CC
5
C(CC=C)C1(SC[C@@H]2OC(O[C@@H]21)(C)C)O>>C(CC=C)[C@@H]1SC[C@@H]([C@@H]1O)O
5
OCCN1CCOCC1.OC=1C=NC(=NC1)C=1C=C(CN2N=C(C=CC2=O)C=2C=NN(C2)C)C=CC1>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>CN1N=CC(=C1)C=1C=CC(N(N1)CC1=CC(=CC=C1)C1=NC=C(C=N1)OCCN1CCOCC1)=O
3
[CH3:1][C:2]1[NH:16][CH2:15][CH2:14][C:4]2=[C:5]3[C:10](=[N:11][C:3]=12)[CH:9]=[CH:8][C:7]([O:12][CH3:13])=[CH:6]3.[C:17](O)([C:19]([F:22])([F:21])[F:20])=[O:18]>C(N(CC)CC)C>[CH2:1]=[C:2]1[C:3]2[NH:11][C:10]3[C:5](=[CH:6][C:7]([O:12][CH3:13])=[CH:8][CH:9]=3)[C:4]=2[CH2:14][CH2:15][N:16]1[C:17](=[O:18])[C:19]([F:22])([F...
1
Br[C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2.[F:13][C:14]1[CH:15]=[C:16](B(O)O)[CH:17]=[C:18]([F:20])[CH:19]=1.C(=O)([O-])[O-].[Na+].[Na+].O>C(COC)OC.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[CH3:12][CH:8]1[CH2:7][C:6]2[C:10](=[C:2]([C:16]3[CH:15]=[C:14...
1
BrC1=CC2=C(O[C@H](CN2S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F)CC(C(=O)O)(C(=O)OC)C)C=C1>C1CCCO1.CO[H].[Na+].[BH4-].CCN(CC)CC.C(C(C)C)OC(=O)Cl>BrC1=CC2=C(O[C@H](CN2S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F)CC(C(=O)OC)(C)CO)C=C1
3
ClC(=O)OC1=CC=CC=C1.C(C)(=O)C=1C=NC=CC1>[Cu]I.C1CCCO1.CSC.C(C)(C)[Mg]Cl>C(C)(=O)C1=CN(C=CC1C(C)C)C(=O)OC1=CC=CC=C1
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([N:16]2[CH2:21][CH2:20][N:19]([CH:22]([CH3:24])[CH3:23])[CH2:18][CH2:17]2)[CH2:9][N:10]2[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]2)=[CH:4][CH:3]=1.[ClH:25].O1CCOCC1>C(O)C>[ClH:25].[ClH:25].[ClH:25].[ClH:25].[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([N:16]2[CH2:17][CH2:18][N:19]([CH:22]([CH...
2
Cl[C:2]1[N:7]=[CH:6][C:5]2[N:8]=[CH:9][N:10]([CH3:11])[C:4]=2[CH:3]=1.[NH2:12][C:13]1[CH:14]=[C:15]([CH:20]=[CH:21][C:22]=1[CH2:23][CH3:24])[C:16]([O:18][CH3:19])=[O:17].[C:25](=O)([O-])[O-].[Cs+].[Cs+].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC(C)C)=CC=CC=2OC(C)C)CCCCC1>C(O)(C)(C)C.CO>[CH2:23]([C:22]1[CH:21]=[CH:20][C:15]([C:16]...
2
ClC=1C=C2CCCN(C2=CC1)C1CN(CCC1)C(=O)OC(C)(C)C>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC=1C=C(C=C2CCCN(C12)C1CN(CCC1)C(=O)OC(C)(C)C)Cl
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]=[C:9]=[O:10])=[CH:4][CH:3]=1.C(N(CC)CC)C.[NH2:18][C:19]1[S:34][C:22]2[CH2:23][N:24]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH2:25][CH2:26][C:21]=2[C:20]=1[C:35](=[O:37])[NH2:36]>C1COCC1.C(Cl)Cl>[C:35]([C:20]1[C:21]2[CH2:26][CH2:25][N:24]([C:27]([O:29][C:30]([CH3:32...
1
N[C:2]1[C:7]([F:8])=[CH:6][C:5]([CH:9]([CH3:14])[C:10]([O:12][CH3:13])=[O:11])=[C:4]([F:15])[CH:3]=1.[BrH:16].N([O-])=O.[Na+].S(=O)(=O)(O)O>>[Br:16][C:2]1[C:7]([F:8])=[CH:6][C:5]([CH:9]([CH3:14])[C:10]([O:12][CH3:13])=[O:11])=[C:4]([F:15])[CH:3]=1
1
[NH2:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[CH2:10][C@H:9]([OH:12])[CH2:8][CH2:7]2.C(=O)([O-])O.[Na+].[Br:18][CH2:19][C:20](Cl)=[O:21]>C(OCC)(=O)C>[Br:18][CH2:19][C:20]([NH:1][C:2]1[C:11]2[CH2:10][C@H:9]([OH:12])[CH2:8][CH2:7][C:6]=2[CH:5]=[CH:4][CH:3]=1)=[O:21]
2
[C:1]([NH:22][C@H:23]([C:36]([OH:38])=[O:37])[CH2:24][C:25]1[CH:30]=[CH:29][C:28]([O:31][P:32]([OH:35])([OH:34])=[O:33])=[CH:27][CH:26]=1)(=[O:21])[CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].C(O)(=O)CCC/C=C\CC=CCC=CCC=CCC...
1
CONCCCC1=CC=C(C=C1)NC(C)=O>>Cl.Cl.NC1=CC=C(C=C1)CCCNOC
5
ClC=1C=C(C=NC1F)C1=C(C=C(C(=O)NS(=O)(=O)C)C=C1)OC(F)F.C(C)(C)C1NCCC1>>ClC=1C=C(C=NC1N1C(CCC1)C(C)C)C1=C(C=C(C(=O)NS(=O)(=O)C)C=C1)OC
5
C(C)(=O)C1=NN(C2=CC=C(C=C12)C=1C=NC(=NC1)C)CC(=O)O.BrC1=CC=C(C(=N1)NC(=O)[C@H]1N[C@@H]2C[C@@]2(C1)CN(C)C)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(=O)C1=NN(C2=CC=C(C=C12)C=1C=NC(=NC1)C)CC(=O)N1[C@H]2C[C@]2(C[C@H]1C(=O)NC1=NC(=CC=C1C)Br)CN(C)C
3
[Na].[CH2:2]([OH:5])[CH2:3][OH:4].Cl[C:7]1[C:16]2[C:11](=[CH:12][C:13]([O:17][CH3:18])=[CH:14][CH:15]=2)[N:10]=[CH:9][CH:8]=1>O>[CH3:18][O:17][C:13]1[CH:12]=[C:11]2[C:16]([C:7]([O:4][CH2:3][CH2:2][OH:5])=[CH:8][CH:9]=[N:10]2)=[CH:15][CH:14]=1
1
C(C)(=O)OC=C.ClC=1C=C(C=CC1)N1N=CC(=N1)C(C)O>C1(=CC=CC=C1)C>C(C)(=O)O[C@H](C)C1=NN(N=C1)C1=CC(=CC=C1)Cl
3
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.IC1=C(C(=NC(=C1)C(C)C)C(C)C)OCOC>>C(C)OC(=C)C1=C(C(=NC(=C1)C(C)C)C(C)C)OCOC
5
Cl[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]([NH:15][S:16]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=3[C:25]([F:28])([F:27])[F:26])(=[O:18])=[O:17])=[N:11][CH:12]=[CH:13][N:14]=2)=[CH:5][CH:4]=1.[C:29]1([OH:35])[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1>>[O:35]([CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]([NH:15][S:16...
1
[CH2:1]([N:8]1[CH:13]([CH2:14][O:15][CH:16]([F:18])[F:17])[CH2:12][O:11][CH:10]([CH3:19])[C:9]1=[O:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:21][Si](C)(C)[N-][Si](C)(C)C.[Li+].[CH2:31](I)[CH:32]=C>O1CCCC1>[CH2:19]([C:10]1([CH3:21])[O:11][CH2:12][CH:13]([CH2:14][O:15][CH:16]([F:17])[F:18])[N:8]([CH2:1][C:2]2[CH:...
2
C(C1=CC=CC=C1)NC([C@@H](CO)NC(OC(C)(C)C)=O)=O>>N[C@@H](C(=O)NCC1=CC=CC=C1)CO
5
C(C1=CC=CC=C1)SCC=1C(=NOC1C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(=O)O)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>CC1=NOC(=C1CS(=O)CC1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(=O)O
3
[CH3:1][CH:2]1[CH2:10][C:9]2[C:4](=[C:5]([Cl:13])[C:6]([Cl:12])=[C:7]([OH:11])[CH:8]=2)[C:3]1=[O:14].C(=O)([O-])[O-].[K+].[K+].[CH2:21](Br)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.O>CN(C)C=O>[CH3:1][CH:2]1[CH2:10][C:9]2[C:4](=[C:5]([Cl:13])[C:6]([Cl:12])=[C:7]([O:11][CH2:21][C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C...
1
CI.FC1=C(C=CC(=C1)Br)C(C(=O)O)C>>FC1=C(C=CC(=C1)Br)C(C(=O)OC)C
5
C(CC)S(=O)(=O)Cl.NC1=C2C=CC(=C(C2=CC=C1F)OC1=NC=NC=C1C1=NC(=NC=C1)N[C@@H]1CN(C[C@H](C1)F)C(=O)OCC1=CC=CC=C1)C>O.c1ccncc1>F[C@@H]1CN(C[C@H](C1)NC1=NC=CC(=N1)C=1C(=NC=NC1)OC1=C(C=CC2=C(C(=CC=C12)F)NS(=O)(=O)CCC)C)C(=O)OCC1=CC=CC=C1
3
C(=O)(OC(C)(C)C)N1CCNCC1.BrC1=C(C=CC(=C1)N1N=NN=C1)CC(=O)O>ClCCl.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>BrC1=C(C=CC(=C1)N1N=NN=C1)CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
3
CNC1=C(C=C(C=C1)[N+](=O)[O-])CO>CC#N.C(=O)(C=1NC=CN1)C=1NC=CN1>CN1C(OCC2=C1C=CC(=C2)[N+](=O)[O-])=O
3
N1=CC(=CC=C1)C1=C(OCC(=O)OC)C=CC=C1>>N1=CC(=CC=C1)C1=C(OCC(=O)NN)C=CC=C1
5
Cl[C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([S:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=3[O:21][CH3:22])=[C:10]([C:23]([F:26])([F:25])[F:24])[CH:9]=2)[CH:5]=[CH:4][N:3]=1.OC1CCNC1.[C:33]([N:36]1[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]1)(=[O:35])[CH3:34]>>[CH3:22][O:21][C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][C:1...
1
C([O:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[NH:16][C:15]([C:17]3[C:26]4[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=4)[CH:20]=[CH:19][CH:18]=3)=[N:14][C:13]=2[C:27]([NH:29][C:30]2[S:31][CH:32]=[CH:33][N:34]=2)=[O:28])=[CH:8][CH:7]=1)(=O)C.[OH-].[Na+]>CC(C)=O>[OH:4][CH2:5][C:6]1[CH:7]=[CH:8][C:9]([C:12]2[NH:16][C:15]([C:1...
1
C1=CCCCCCC1>>[C@@H]1([C@H](CCCCCC1)O)O
5
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:16]#[N:17].[NH2:18][C:19]1[CH:20]=[C:21]([OH:25])[CH:22]=[CH:23][CH:24]=1>>[OH:25][C:21]1[CH:20]=[C:19]([NH:18][C:2]2[C:11]3[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=3)[N:5]=[CH:4][C:3]=2[C:16]#[...
1
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([O:8][CH2:9][CH2:10][O:11][CH3:12])[N:3]=1.C([N-]C(C)C)(C)C.[Li+].CCCCCCC.O1CCCC1.C(C1C=CC=CC=1)C.[B:41](OC(C)C)([O:46]C(C)C)[O:42]C(C)C.FC1N=C(OCCOC)C(B(O)O)=CC=1>C1COCC1>[F:1][C:2]1[C:7]([B:41]([OH:46])[OH:42])=[CH:6][CH:5]=[C:4]([O:8][CH2:9][CH2:10][O:11][CH3:12])[N:3]=1
1
C(#N)C1=CC=C(C=C1)C1=CC2=CN(N=C2C(=C1)COCC1(CCN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1)C>C(=O)(C(F)(F)F)O>CN1N=C2C(=CC(=CC2=C1)C1=CC=C(C#N)C=C1)COCC1(CCNCC1)C1=CC=CC=C1
3
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]=[C:10]([N+:12]([O-])=[O:13])[CH3:11])=[CH:5][CH:4]=1)[CH3:2].[Al]>O1CCCC1>[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([CH2:9][C:10](=[N:12][OH:13])[CH3:11])=[CH:5][CH:4]=1)[CH3:2]
1
C(NC(C)C)(C)C.C([Li])CCC.[F:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([F:20])[N:15]=1.[C:21](=[O:23])=[O:22]>C1COCC1.O.CCCCCC>[F:20][C:16]1[N:15]=[C:14]([F:13])[CH:19]=[CH:18][C:17]=1[C:21]([OH:23])=[O:22]
2
C(C)(=O)OC(C)=O.COC=1C=C2C(=C(NC2=CC1)C(=O)OCC)CC[N+](=O)[O-]>>C(C)(=O)NCCC1=C(NC2=CC=C(C=C12)OC)C(=O)OCC
5
COC1=CC=C(CCO)C=C1.C(C)(C)(C)OC(CNC(C1=CC=C(C=C1)O)=O)=O>>COC1=CC=C(C=C1)CCOC1=CC=C(C(=O)NCC(=O)O)C=C1
5
Br[C:2]1[N:3]=[CH:4][NH:5][CH:6]=1.[F:7][C:8]1[CH:9]=[C:10](B(O)O)[CH:11]=[CH:12][C:13]=1[F:14].CC1(C)C(C)(C)OB([C:26]2[CH:27]=[CH:28][C:29]3[CH2:36][C@H:35]4[C@:37]5([CH2:41][N:40]([CH2:42][C:43]([F:46])([F:45])[F:44])[S:39](=[O:48])(=[O:47])[NH:38]5)[C@H:32]([CH2:33][CH2:34]4)[CH2:31][C:30]=3[CH:49]=2)O1>>[F:7][C:8]1...
1
OC1=NC(=NC(=C1)C(F)(F)F)C=1C=NC(=CC1)C(F)(F)F>>ClC1=NC(=NC(=C1)C(F)(F)F)C=1C=NC(=CC1)C(F)(F)F
5
[CH:1]([NH:4][CH2:5][C:6]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[NH:9][C:8](=[O:16])[CH:7]=1)([CH3:3])[CH3:2].[O:17]1[CH:21]=[CH:20][CH:19]=[C:18]1[C:22](Cl)=[O:23]>>[CH:1]([N:4]([CH2:5][C:6]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[NH:9][C:8](=[O:16])[CH:7]=1)[C:22]([C:18]1[O:17][CH:21]=[CH:20][CH:19]=...
2
C(OC([NH:11][CH:12]1[C:15](=[O:16])[NH:14][CH:13]1[O:17][C:18](=[O:20])[CH3:19])=O)C1C=CC=CC=1>[Pd].C(OCC)(=O)C>[NH2:11][CH:12]1[C:15](=[O:16])[NH:14][CH:13]1[O:17][C:18](=[O:20])[CH3:19]
1
BrC=1C=C(C=CC1)CCC(=O)O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>BrC=1C=C(C=CC1)CCCO
3
Cl.C(CCCCCC)NC(=N)NC(=N)NC(CC(C)(C)C)(C)C>>C(C)(=O)O.CC1(N=C(NC(=N1)NC(CC(C)(C)C)(C)C)NCCCCCCC)C
5
C(#N)C=C.[C:5]([O:9][CH3:10])(=[O:8])[CH:6]=[CH2:7].[C:11]([NH:15][C:16]([CH3:23])([CH3:22])[CH2:17][S:18]([O-:21])(=[O:20])=[O:19])(=[O:14])[CH:12]=[CH2:13].[Na+:24]>CN(C)C=O>[C:5]([O:9][CH3:10])(=[O:8])[CH:6]=[CH2:7].[C:11]([NH:15][C:16]([CH3:23])([CH3:22])[CH2:17][S:18]([O-:21])(=[O:19])=[O:20])(=[O:14])[CH:12]=[CH2...
2
C(C)(C)(C)[Si](C)(C)Cl.O[C@@H](CC(=O)OC)C>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>[Si](C)(C)(C(C)(C)C)O[C@@H](CC(=O)OC)C
3
C(Cl)Cl.[SH:4][C:5]1[S:6][C:7]2[CH2:13][CH2:12][CH2:11][CH2:10][C:8]=2[N:9]=1.Br[CH:15]([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[C:16]([OH:18])=[O:17]>C(N(CC)CC)C>[C:19]1([CH:15]([S:4][C:5]2[S:6][C:7]3[CH2:13][CH2:12][CH2:11][CH2:10][C:8]=3[N:9]=2)[C:16]([OH:18])=[O:17])[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1
1
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC1=CC(=NC=C1)C>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>CC1=NC=CC(=C1)C=1CCN(CC1)C(=O)OC(C)(C)C
3
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[CH2:18][CH2:17][C@@H:16]([CH2:19][C:20]3[C:25]([Cl:26])=[CH:24][C:23]([O:27]CC4C=CC=CC=4)=[CH:22][C:21]=3[Cl:35])[C:15]2=[O:36])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]>CCOC(C)=O.[OH-].[OH-].[Pd+2]>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[CH2...
1
C(=O)(OC(C)(C)C)N1CCNCC1.FC(C1=CC=C(C=O)C=C1)(F)F>O.C1CCCO1.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(C)(=O)[O-].[Na+]>FC(C1=CC=C(CN2CCN(CC2)C(=O)OC(C)(C)C)C=C1)(F)F
3
C(N(CC)CC)C.[C:8]1([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH:13]=[CH:12][C:11]([C:14]([N:16]2[CH2:20][C:19](=[N:21][O:22][CH3:23])[CH2:18][C@H:17]2[C:24]#[N:25])=[O:15])=[CH:10][CH:9]=1.Cl.[NH2:33][OH:34]>C(O)C>[C:8]1([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH:9]=[CH:10][C:11]([C:14]([N:16]2[CH2:20][C:...
1
Br[C:2]1[N:3]=[C:4](/[CH:12]=[CH:13]/[C:14]2[N:22]=[C:21]3[N:16]([C:17]([CH3:24])=[N:18][CH:19]=[C:20]3[CH3:23])[N:15]=2)[N:5]([CH2:7][C:8]([F:11])([F:10])[F:9])[CH:6]=1.[NH:25]1[CH2:29][CH2:28][CH2:27][C:26]1=[O:30]>>[CH3:24][C:17]1[N:16]2[N:15]=[C:14](/[CH:13]=[CH:12]/[C:4]3[N:5]([CH2:7][C:8]([F:11])([F:10])[F:9])[CH...
2
C(C1=CC=CC=C1)N=C=O.I.ClC=1C=2C=3C(C(N(C2C=CC1)C1CNCCC1)=O)=C(ON3)C>C1CCCO1.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)NC(=O)N1CC(CCC1)N1C(C=2C(C=3C(=CC=CC13)Cl)=NOC2C)=O
3
[NH2:1][C:2]1[C:3]([Cl:9])=[N:4][CH:5]=[C:6]([Br:8])[CH:7]=1.[F:10][C:11]1[CH:12]=[CH:13][C:14]([CH3:21])=[C:15]([S:17](Cl)(=[O:19])=[O:18])[CH:16]=1>N1C=CC=CC=1>[Br:8][C:6]1[CH:7]=[C:2]([NH:1][S:17]([C:15]2[CH:16]=[C:11]([F:10])[CH:12]=[CH:13][C:14]=2[CH3:21])(=[O:18])=[O:19])[C:3]([Cl:9])=[N:4][CH:5]=1
1
[CH:1]([C:3]1[C:7]([CH3:8])=[C:6]([CH3:9])[NH:5][C:4]=1[C:10]([O:12][CH3:13])=[O:11])=[O:2].[Br:14][CH2:15][CH2:16]Br>>[Br:14][CH2:15][CH2:16][N:5]1[C:6]([CH3:9])=[C:7]([CH3:8])[C:3]([CH:1]=[O:2])=[C:4]1[C:10]([O:12][CH3:13])=[O:11]
1
C(N(CC)CC)C.[B-](F)(F)(F)F.CN(C(ON1C(=O)CCC1=O)=[N+](C)C)C.[CH3:28][O:29][C:30]1[CH:35]=[CH:34][C:33]([C:36]2[CH:41]=[CH:40][N:39]=[C:38]3[NH:42][C:43]([C:45]4[CH:53]=[CH:52][C:48]([C:49](O)=[O:50])=[CH:47][CH:46]=4)=[N:44][C:37]=23)=[CH:32][CH:31]=1.[CH3:54][N:55]1[CH2:61][CH2:60][CH2:59][NH:58][CH2:57][CH2:56]1>CN(C=...
2
[CH2:1]([O:3][C:4]([C:6]1[N:7]=[CH:8][N:9]([CH2:17][CH:18]2[CH2:23][CH2:22][CH2:21][CH2:20][N:19]2C(OC(C)(C)C)=O)[C:10]=1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:5])[CH3:2].C(O)(C(F)(F)F)=O>ClCCl>[C:11]1([C:10]2[N:9]([CH2:17][CH:18]3[CH2:23][CH2:22][CH2:21][CH2:20][NH:19]3)[CH:8]=[N:7][C:6]=2[C:4]([O:3][CH2:1...
2
[NH2:1][C:2]1[CH:12]=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][C:3]=1[CH3:13].C([O-])(=O)C.[K+].C(OC(=O)C)(=O)C.C1OCCOCCOCCOCCOCCOC1.[N:44](OCCC(C)C)=O.C(=O)(O)[O-].[Na+].O.N>C(Cl)(Cl)Cl>[NH:1]1[C:2]2[C:3](=[CH:4][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:11][CH:12]=2)[CH:13]=[N:44]1
1
ClCCOC1=CC2=C([C@]3([C@@](O2)([C@@H](C[C@@H]3O)C3=CC=CC=C3)C3=CC=C(C=C3)Cl)O)C=C1>>N(=[N+]=[N-])CCOC1=CC2=C([C@]3([C@@](O2)([C@@H](C[C@@H]3O)C3=CC=CC=C3)C3=CC=C(C=C3)Cl)O)C=C1
5
C(CC(=O)C)(=O)OC.BrCC(=C)C>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C)(=O)C(C(=O)OC)CC(=C)C
3
[CH2:1](Br)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:9]([OH:17])(=[O:16])[C@@H:10]([CH2:12][CH:13]([CH3:15])[CH3:14])[OH:11].C(N(CC)CC)C>C(OCC)(=O)C>[CH2:1]([O:17][C:9](=[O:16])[C@@H:10]([CH2:12][CH:13]([CH3:15])[CH3:14])[OH:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
1
[N:1](OC(C)(C)C)=[O:2].Cl.O1CCOCC1.[C:15]([O:19][C:20](=[O:40])[NH:21][C:22]1[N:31]=[C:30]([O:32][CH3:33])[C:29]2[C:28]3[CH:34]=[C:35]([F:38])[CH:36]=[CH:37][C:27]=3[C:26]([OH:39])=[CH:25][C:24]=2[N:23]=1)([CH3:18])([CH3:17])[CH3:16]>CN(C=O)C.O>[C:15]([O:19][C:20](=[O:40])[NH:21][C:22]1[N:31]=[C:30]([O:32][CH3:33])[C:2...
2
ClC1=NC=C(C=C1)CCl.FC1=CC=C(C=C1)N=CN1C(NCC1)=N[N+](=O)[O-]>C([O-])([O-])=O.[K+].[K+].CS(=O)C>ClC1=NC=C(C=C1)CN1C(N(CC1)C=NC1=CC=C(C=C1)F)=N[N+](=O)[O-]
3
[C:1]([C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([OH:8])=O)#[N:2].C(N(CC)CC)C.CCCP1(OP(CCC)(=O)OP(CCC)(=O)O1)=O.[C:37]([NH:45][NH2:46])(=[O:44])[C:38]1[CH:43]=[CH:42][CH:41]=[N:40][CH:39]=1>ClCCl.[Cl-].[Na+].O>[N:40]1[CH:41]=[CH:42][CH:43]=[C:38]([C:37]([NH:45][NH:46][C:6](=[O:8])[C:5]2[CH:9]=[CH:10][CH:11]=[C:3]...
2
BrCCCCN1C(C=2C(C1=O)=CC=CC2)=O.C(C)(C)(C)C1=NC(=CC(=N1)C1CCC1)N1CCNCC1>N(C)(C)C=O.CCN(CC)CC>C(C)(C)(C)C1=NC(=CC(=N1)N1CCN(CC1)CCCCN1C(C2=CC=CC=C2C1=O)=O)C1CCC1
3
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=O)[CH:10]([CH3:14])[CH2:11][CH:12]=O)=[C:5]([CH3:16])[CH:4]=1.[NH2:17][N:18]1[C:22](=[O:23])[C:21]2=[CH:24][CH:25]=[CH:26][CH:27]=[C:20]2[C:19]1=[O:28]>Cl.O1CCOCC1>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:17]([N:18]3[C:22](=[O:23])[C:21]4[C:20](=[CH:27][CH:26]=[CH:25][CH...
1
C1COCCN1.C(=O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)CN1CCOCC1
3
[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][N:9]([C:12](=[O:47])[C@@H:13]([NH:23][C:24]([C:26]2[CH:30]=[C:29]([O:31][C:32]3([C:36]([O:38][CH2:39][CH3:40])=[O:37])[CH2:35][CH2:34][CH2:33]3)[N:28]([C:41]3[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=3)[N:27]=2)=[O:25])[CH2:14][CH2:15][C:16]([O:18]C(C)(C)C)=[O:17])[CH2:8][CH2:7]1)=...
1
BrC=1C=NC(=NC1)C.CC1(C(NC2=CC(=CC=C12)B1OC(C(O1)(C)C)(C)C)=O)C>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>CC1(C(NC2=CC(=CC=C12)C=1C=NC(=NC1)C)=O)C
3
ClC(=O)OC.ClC=1C=CC(=NC1)NC(C1=C(C=C(C=C1)C1=NOC(C1)(C(F)(F)F)C1=CC(=CC(=C1)Cl)Cl)C)=O>C1CCCO1.[HH].[H-].[Na+]>ClC=1C=CC(=NC1)N(C(OC)=O)C(C1=C(C=C(C=C1)C1=NOC(C1)(C(F)(F)F)C1=CC(=CC(=C1)Cl)Cl)C)=O
3
C(#N)CC1=CNC2=CC=CC=C12.CC1=C(C(=CC(=C1)C)[N+](=O)[O-])S(=O)(=O)[N@@]1C(C1)C>N(C)(C)C=O.[H-].[Na+]>C(#N)CC1=CN(C2=CC=CC=C12)C[C@H](C)NS(=O)(=O)C1=C(C=C(C=C1[N+](=O)[O-])C)C
3
[F:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([C:12]2[O:16][C:15]([N:17]3[CH:21]=[CH:20][N:19]=[C:18]3[CH3:22])=[N:14][C:13]=2[CH2:23][CH2:24][CH2:25][C:26](OCC)=[O:27])=[CH:4][CH:3]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-].O>O1CCCC1>[F:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([C:12]2[O:16][C:15...
1
BrC1=CC=C(O1)C=O>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl.CNC>BrC1=CC=C(O1)CN(C)C
3
C(C)N.BrC1=NC=C(C=C1)C(F)(F)F>>C(C)NC1=NC=C(C=C1)C(F)(F)F
5
NC1=CC=CC=C1.BrC=1C(=NN(C1C(C)CC)C1=CC(=NC=C1)Cl)C1=CC=C(C=C1)F>C(=O)(C(F)(F)F)O.FC(CO)(F)F>BrC=1C(=NN(C1C(C)CC)C1=CC(=NC=C1)NC1=CC=CC=C1)C1=CC=C(C=C1)F
3
[Cl:1][C:2]1[CH:46]=[CH:45][C:5]([CH2:6][C@@H:7]([NH:30][CH:31]2[CH2:36][CH2:35][CH:34]([NH:37]C(=O)OC(C)(C)C)[CH2:33][CH2:32]2)[C:8]([N:10]2[CH2:15][CH2:14][CH:13]([N:16]([CH:24]3[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]3)[C:17]([N:19]([CH2:22][CH3:23])[CH2:20][CH3:21])=[O:18])[CH2:12][CH2:11]2)=[O:9])=[CH:4][CH:3]=1.C...
2
C[Si](C)(C)Cl.ClC1=CC=C(C(=N1)C(=O)OC)C>CC#N.[I-].[Na+]>IC1=CC=C(C(=N1)C(=O)O)C
3
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([S:14]([C:17]2[CH:22]=[CH:21][C:20]([N+:23]([O-])=O)=[CH:19][CH:18]=2)(=[O:16])=[O:15])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(O)C.[Cl-].[NH4+]>[Fe].O>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([S:14]([C:17]2[CH:22]=[CH:21][C:20]([NH2:23])=[CH:19][CH:18]=2)...
1
C(C)[C@]1(C(OCC=2C(N3CC=4C(=NC=5C=CC(=CC5C4CC)O)C3=CC21)=O)=O)O.C(C1=CC=CC=C1)(C1=CC=CC=C1)N1[C@@H](CCC1)C(=O)O>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C1=CC=CC=C1)(C1=CC=CC=C1)N1[C@@H](CCC1)C(=O)OC1=CC=2C(=C3C(=NC2C=C1)C1=CC2=C(C(N1C3)=O)COC([C@]2(O)CC)=O)CC
3
C(C(=O)O)(=O)O.C(CC)N(CCC)CCCC1=C(C=CC(=C1)Cl)OCCC1=CC=CC=C1>CCO[H]>C(C(=O)O)(=O)O.C(CC)N(CCC)CCCC1=C(C=CC(=C1)Cl)OCCC1=CC=CC=C1
3
ClC1=NC=C(C(=N1)Cl)C(F)(F)F.NC1=CC=C(C=C1)C1N(CCCC1)C(=O)OC(C)(C)C>>ClC1=NC(=NC=C1C(F)(F)F)NC1=CC=C(C=C1)C1N(CCCC1)C(=O)OC(C)(C)C
5
C[O:2][C:3]1[C:8]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[CH:7][C:6]([C:15]([CH3:18])([CH3:17])[CH3:16])=[CH:5][C:4]=1[C:19]1[N:24]=[C:23]([CH:25]=[O:26])[CH:22]=[CH:21][CH:20]=1.B(Br)(Br)Br.O.C([O-])([O-])=O.[Na+].[Na+]>ClCCl>[OH:2][C:3]1[C:8]([C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=2)=[CH:7][C:6]([C:15]([...
1
C1(CC1)C(=O)Cl.NC1=NN(C=C1C(=O)N)C1(CCNCC1)CC#N>ClCCl.C(C)(C)N(C(C)C)CC>C(N)(=O)C=1C(=NN(C1)C1(CCN(CC1)C(=O)OC(C)(C)C)CC#N)NC(=O)C1CC1
3
[Cl:1][C:2]1[C:3](=[O:9])[NH:4][N:5]=[CH:6][C:7]=1[Cl:8].C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1.[O:27]1[CH:32]=[CH:31][CH2:30][CH2:29][CH2:28]1>O1CCCC1>[Cl:1][C:2]1[C:3](=[O:9])[N:4]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][O:27]2)[N:5]=[CH:6][C:7]=1[Cl:8]
1
[C:1]([C@@H:3]([NH:23][C:24]([C@@H:26]1[CH2:32][N:31](C(OC(C)(C)C)=O)[CH2:30][CH2:29][CH2:28][O:27]1)=[O:25])[CH2:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:12]=[C:13]([CH3:22])[C:14]3[O:18][C:17](=[O:19])[N:16]([CH3:20])[C:15]=3[CH:21]=2)=[CH:7][CH:6]=1)#[N:2]>C(O)=O>[C:1]([C@@H:3]([NH:23][C:24]([C@@H:26]1[CH2:32][NH:31][...
2
CC=1N=COC1C1=CC=C(C=C1)C(F)(F)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C(Cl)(Cl)(Cl)Cl>ClC=1OC(=C(N1)C)C1=CC=C(C=C1)C(F)(F)F
3
COC1=CC=C(C=C1)N=NC1=CC=CC=C1>>COC1=CC=C(C=C1)NNC1=CC=CC=C1
5
[BH4-].[Na+].[F:3][C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[N+:13]([O-:15])=[O:14])[C:7](O)=[O:8].B(F)(F)F.CCOCC.Cl>C1COCC1>[F:3][C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[N+:13]([O-:15])=[O:14])[CH2:7][OH:8]
1
BrC=1C(=C(C(=O)NC2=CC=CC=C2)C(=CC1)O)C>c1ccncc1.ClC(=O)OCC>BrC=1C=CC2=C(C(N(C(O2)=O)C2=CC=CC=C2)=O)C1C
3
O1CCC(CC1)CN.C1OC=2C=C(COCC3=CC(=NO3)C(=O)O)C=CC2O1>C(Cl)(Cl)(Cl)[H].CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>O1CCC(CC1)CNC(=O)C1=NOC(=C1)COCC1=CC2=C(C=C1)OCO2
3
C(OC(=O)[N:7]([C:16]1[CH:21]=[C:20]([F:22])[CH:19]=[C:18]([O:23][C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([NH:30][C:31]([N:33]([CH3:35])[CH3:34])=[O:32])[CH:25]=2)[C:17]=1[C:36](=[O:38])[NH2:37])[C:8]1[CH:13]=[CH:12][C:11]([I:14])=[CH:10][C:9]=1[F:15])(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:34][N:33]([CH3:35])[C:31](=[O:32])[...
2
[OH:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[N:17]=[C:16]([N:18]2[CH2:23][CH2:22][CH2:21][C@@H:20]([CH2:24][NH:25]C(=O)OCC3C=CC=CC=3)[CH2:19]2)[C:15]2[C:10](=[CH:11][C:12]([CH3:36])=[CH:13][CH:14]=2)[N:9]=1>[Pd].CCO>[NH2:25][CH2:24][C@@H:20]1[CH2:21][CH2:22][CH2:23][N:18]([C:16]2[C:15]3[C:10](=[CH:11][C:12]([CH3...
1
IC1=NN(C=C1C1=NC(=NC=C1)N)C(C)C>C(=O)(C(F)(F)F)O.N(=O)[O-].[Na+]>IC1=NN(C=C1C1=NC(=NC=C1)O)C(C)C
3
CI.N1=C(C)C=CC2=CC=CC=C12>C1(=CC=CC=C1)C>[I-].C[N+]1=C(C=CC2=CC=CC=C12)C
3